#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn6 s GLU 2 N 0.00 1.50 0.39 3.17 2.56 -1.26 -5.11 118.70 119.94 1xn6 s GLU 2 Ca 0.00 -1.82 -0.22 0.00 0.00 0.00 0.00 54.97 52.93 1xn6 s GLU 2 Cb 0.00 -0.53 -0.15 0.00 2.00 0.00 0.00 34.13 35.45 1xn6 s GLU 2 CO 0.00 -0.24 0.28 1.04 -0.56 0.00 0.00 175.26 175.78 1xn6 n GLN 3 N -0.55 0.18 -1.17 4.30 3.00 -1.26 -4.76 117.38 117.12 1xn6 n GLN 3 Ca -0.01 0.06 -0.37 0.00 -0.01 0.00 0.00 57.00 56.67 1xn6 n GLN 3 Cb 0.66 -1.16 0.02 0.00 0.00 0.00 0.00 30.24 29.76 1xn6 n GLN 3 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1xn6 n GLN 4 N 1.07 0.00 -3.79 -1.09 6.02 -1.26 -4.99 117.38 113.34 1xn6 n GLN 4 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.02 1xn6 n GLN 4 Cb 0.38 -0.97 -0.06 0.00 1.02 0.00 0.00 30.24 30.61 1xn6 n GLN 4 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xn6 s ASN 5 N -0.97 -0.04 0.34 1.08 0.01 -1.26 -5.13 114.94 108.96 1xn6 s ASN 5 Ca 0.52 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 1xn6 s ASN 5 Cb -0.42 0.42 0.00 0.00 0.41 0.00 0.00 41.25 41.66 1xn6 s ASN 5 CO 0.68 -0.82 0.00 0.41 -1.51 0.00 0.00 177.10 175.86 1xn6 n THR 6 N -0.16 0.00 -3.57 1.60 -1.04 -1.26 -4.86 114.28 104.99 1xn6 n THR 6 Ca -0.14 0.25 -0.23 0.00 -2.04 0.00 0.00 64.05 61.89 1xn6 n THR 6 Cb 0.63 -0.63 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1xn6 n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xn6 s LEU 7 N -6.07 4.12 0.44 -4.42 1.43 -0.38 -4.78 118.68 109.02 1xn6 s LEU 7 Ca 0.00 0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1xn6 s LEU 7 Cb 0.00 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 1xn6 s LEU 7 CO 0.00 -0.21 0.23 0.20 0.23 0.00 0.00 176.35 176.80 1xn6 s ASN 8 N -3.93 4.52 -0.23 2.29 -0.87 -1.26 -4.95 114.94 110.51 1xn6 s ASN 8 Ca 0.38 -1.11 -0.17 0.00 -1.57 0.00 0.00 52.86 50.39 1xn6 s ASN 8 Cb -0.10 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.25 40.84 1xn6 s ASN 8 CO 0.33 -0.68 0.48 -1.81 -2.57 0.00 0.00 177.10 172.85 1xn6 s ASP 9 N -4.00 6.45 -0.83 -1.22 1.01 -1.26 -4.92 116.67 111.90 1xn6 s ASP 9 Ca 0.38 0.54 -0.24 0.00 0.71 0.00 0.00 52.55 53.94 1xn6 s ASP 9 Cb 0.02 -2.27 -0.17 0.00 1.01 0.00 0.00 42.92 41.51 1xn6 s ASP 9 CO 0.22 -0.20 2.35 -0.38 0.21 0.00 0.00 175.17 177.37 1xn6 n ILE 10 N 4.80 0.00 -3.45 0.77 5.41 -0.97 -4.80 119.36 121.13 1xn6 n ILE 10 Ca -0.06 -0.46 -0.37 0.00 1.00 0.00 0.00 62.75 62.86 1xn6 n ILE 10 Cb 0.50 -1.77 -0.06 0.00 -0.71 0.00 0.00 39.64 37.60 1xn6 n ILE 10 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xn6 s LYS 11 N 8.66 4.16 -0.45 0.38 2.20 -1.25 -2.13 119.74 131.31 1xn6 s LYS 11 Ca 0.95 0.32 0.02 0.00 -0.36 0.00 0.00 55.97 56.91 1xn6 s LYS 11 Cb -0.20 -3.36 0.14 0.00 -1.51 0.00 0.00 37.83 32.90 1xn6 s LYS 11 CO 0.14 0.36 0.27 -0.65 -0.36 0.00 0.00 175.35 175.11 1xn6 s GLN 12 N 0.01 1.29 -0.26 4.03 1.11 0.14 -4.93 119.66 121.05 1xn6 s GLN 12 Ca 0.22 -2.07 -0.22 0.00 0.01 0.00 0.00 55.36 53.31 1xn6 s GLN 12 Cb -0.15 -2.26 -0.01 0.00 -1.01 0.00 0.00 33.01 29.57 1xn6 s GLN 12 CO 0.09 -1.19 0.70 0.99 0.01 0.00 0.00 175.29 175.88 1xn6 s THR 13 N 0.24 4.92 0.01 -0.19 2.01 -1.26 -1.45 115.64 119.92 1xn6 s THR 13 Ca 0.20 1.22 -0.08 0.00 0.31 0.00 0.00 61.69 63.34 1xn6 s THR 13 Cb -0.20 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1xn6 s THR 13 CO -0.03 -0.04 0.15 -0.51 -0.69 0.00 0.00 174.62 173.50 1xn6 s ILE 14 N 2.65 0.09 -0.07 1.82 2.07 0.24 -4.99 121.20 123.01 1xn6 s ILE 14 Ca 0.29 -0.76 -0.02 0.00 -1.41 0.00 0.00 60.65 58.74 1xn6 s ILE 14 Cb -0.15 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.84 1xn6 s ILE 14 CO 0.09 -0.42 0.03 -0.69 -1.91 0.00 0.00 174.94 172.04 1xn6 s VAL 15 N -1.70 4.54 0.18 4.00 1.01 -1.26 0.62 120.40 127.78 1xn6 s VAL 15 Ca -0.12 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.71 1xn6 s VAL 15 Cb -0.06 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1xn6 s VAL 15 CO 0.00 0.55 -0.17 -0.36 0.00 0.00 0.00 175.10 175.12 1xn6 s PHE 16 N -0.97 1.82 -1.29 5.22 0.08 -0.84 -4.96 117.98 117.04 1xn6 s PHE 16 Ca 0.15 -0.49 -0.08 0.00 0.12 0.00 0.00 56.93 56.64 1xn6 s PHE 16 Cb -0.12 -0.88 0.15 0.00 -0.57 0.00 0.00 43.02 41.60 1xn6 s PHE 16 CO 0.05 0.36 2.03 -1.71 -0.10 0.00 0.00 175.22 175.85 1xn6 n ASN 17 N 0.08 6.00 -3.12 1.36 2.85 -1.26 -2.71 115.26 118.46 1xn6 n ASN 17 Ca -0.11 -3.12 -0.07 0.00 -0.11 0.00 0.00 54.58 51.17 1xn6 n ASN 17 Cb 0.58 -1.44 0.02 0.00 1.24 0.00 0.00 39.78 40.18 1xn6 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xn6 s ALA 18 N -0.12 -1.05 0.23 5.20 0.00 0.17 -4.90 121.76 121.29 1xn6 s ALA 18 Ca 0.44 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.83 1xn6 s ALA 18 Cb 0.12 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 1xn6 s ALA 18 CO -0.02 -1.01 0.40 -1.12 0.00 0.00 0.00 175.76 174.01 1xn6 s SER 19 N -3.16 6.35 0.32 0.00 0.01 -1.22 -1.67 113.70 114.32 1xn6 s SER 19 Ca 0.17 0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.80 1xn6 s SER 19 Cb -0.04 -1.97 0.70 0.00 0.21 0.00 0.00 66.02 64.92 1xn6 s SER 19 CO 0.09 -0.09 1.85 -0.29 0.41 0.00 0.00 173.24 175.22 1xn6 h ILE 20 N 1.31 0.87 -0.17 1.44 2.10 -1.88 0.49 117.51 121.68 1xn6 h ILE 20 Ca -0.49 -0.28 -0.04 0.00 1.08 0.00 0.00 64.86 65.12 1xn6 h ILE 20 Cb 1.21 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 1xn6 h ILE 20 CO 0.65 0.15 -0.08 1.56 -1.08 0.00 0.00 178.15 179.35 1xn6 h GLN 21 N 0.83 0.26 0.03 2.19 7.50 -1.94 0.85 115.11 124.83 1xn6 h GLN 21 Ca 0.47 -0.05 -0.07 0.00 0.50 0.00 0.00 58.65 59.50 1xn6 h GLN 21 Cb 0.62 -0.04 0.01 0.00 0.05 0.00 0.00 27.48 28.11 1xn6 h GLN 21 CO -0.24 0.36 -0.28 -0.22 -1.50 0.00 0.00 178.83 176.95 1xn6 h LYS 22 N 0.25 0.13 -0.47 1.46 3.64 -0.66 -2.62 116.57 118.30 1xn6 h LYS 22 Ca 0.05 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1xn6 h LYS 22 Cb 0.31 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1xn6 h LYS 22 CO 0.02 1.02 0.12 0.28 -2.27 0.00 0.00 179.45 178.61 1xn6 h VAL 23 N -0.66 1.20 -0.33 2.00 2.07 -0.01 -2.06 116.25 118.46 1xn6 h VAL 23 Ca -0.04 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1xn6 h VAL 23 Cb 1.14 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1xn6 h VAL 23 CO 0.05 0.27 0.19 -0.25 0.02 0.00 0.00 177.57 177.85 1xn6 h TRP 24 N 0.69 0.45 -0.61 1.57 2.91 0.67 -1.03 115.95 120.59 1xn6 h TRP 24 Ca 0.16 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.32 1xn6 h TRP 24 Cb 0.25 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.73 1xn6 h TRP 24 CO 0.01 0.35 0.43 1.03 -1.03 0.00 0.00 178.44 179.22 1xn6 h SER 25 N 0.42 0.15 0.65 2.65 0.87 -0.98 1.41 113.55 118.70 1xn6 h SER 25 Ca 0.12 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1xn6 h SER 25 Cb 0.04 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1xn6 h SER 25 CO -0.02 0.08 0.00 0.52 -0.53 0.00 0.00 176.83 176.88 1xn6 n VAL 26 N -4.41 0.54 -2.63 2.23 0.31 -0.41 -2.98 118.33 110.97 1xn6 n VAL 26 Ca 0.11 0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.47 1xn6 n VAL 26 Cb 0.57 -0.78 0.03 0.00 -0.91 0.00 0.00 33.84 32.75 1xn6 n VAL 26 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xn6 n VAL 27 N -1.46 1.38 -2.22 2.52 0.24 0.47 -4.02 118.33 115.24 1xn6 n VAL 27 Ca 0.06 -3.41 -0.02 0.00 -2.04 0.00 0.00 64.34 58.93 1xn6 n VAL 27 Cb 0.23 0.37 0.02 0.00 -1.47 0.00 0.00 33.84 32.99 1xn6 n VAL 27 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xn6 n SER 28 N -0.29 -0.69 -3.51 -1.34 3.41 -0.66 -4.93 113.62 105.61 1xn6 n SER 28 Ca 0.16 -1.41 -0.13 0.00 -0.26 0.00 0.00 58.87 57.23 1xn6 n SER 28 Cb 0.80 0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.98 1xn6 n SER 28 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xn6 s THR 29 N 0.04 0.00 -0.23 6.66 -4.23 -1.25 -4.93 115.64 111.71 1xn6 s THR 29 Ca 0.03 -1.60 -0.05 0.00 -1.18 0.00 0.00 61.69 58.88 1xn6 s THR 29 Cb 0.14 -2.53 -0.18 0.00 1.34 0.00 0.00 72.50 71.26 1xn6 s THR 29 CO -0.04 0.00 -0.09 0.00 -0.54 0.00 0.00 174.62 173.95 1xn6 n ALA 30 N -0.50 1.22 0.07 3.99 0.00 -1.26 -3.78 120.51 120.26 1xn6 n ALA 30 Ca 0.01 -0.95 -0.22 0.00 0.00 0.00 0.00 53.44 52.28 1xn6 n ALA 30 Cb 0.62 -0.22 -0.15 0.00 0.00 0.00 0.00 19.45 19.70 1xn6 n ALA 30 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xn6 h GLU 31 N -0.25 0.37 -0.35 0.00 4.22 -1.96 -1.66 114.58 114.95 1xn6 h GLU 31 Ca -0.55 -0.63 0.04 0.00 0.08 0.00 0.00 59.36 58.30 1xn6 h GLU 31 Cb 1.83 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 31.28 1xn6 h GLU 31 CO -0.12 1.30 0.11 0.78 -2.18 0.00 0.00 179.01 178.90 1xn6 h GLY 32 N -0.12 0.43 0.90 1.92 0.00 -1.86 0.14 103.07 104.48 1xn6 h GLY 32 Ca -0.20 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1xn6 h GLY 32 CO 0.18 0.02 -0.36 -2.22 0.00 0.00 0.00 176.54 174.16 1xn6 h ILE 33 N 0.25 1.33 -0.01 2.60 2.04 -1.68 -2.63 117.51 119.40 1xn6 h ILE 33 Ca 0.16 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1xn6 h ILE 33 Cb 0.14 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1xn6 h ILE 33 CO -0.17 0.49 0.11 0.00 0.00 0.00 0.00 178.15 178.58 1xn6 h ALA 34 N 0.59 1.18 0.00 1.87 0.00 -0.87 0.79 119.26 122.84 1xn6 h ALA 34 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xn6 h ALA 34 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1xn6 h ALA 34 CO 0.08 -0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.64 1xn6 n SER 35 N -3.11 0.00 -2.70 0.00 7.64 0.47 -3.92 113.62 112.00 1xn6 n SER 35 Ca -0.02 -0.17 -0.06 0.00 1.01 0.00 0.00 58.87 59.63 1xn6 n SER 35 Cb 0.18 -0.24 0.09 0.00 -1.01 0.00 0.00 64.21 63.23 1xn6 n SER 35 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1xn6 n TRP 36 N -1.24 -1.72 0.00 1.43 4.27 0.26 -4.67 117.44 115.77 1xn6 n TRP 36 Ca 0.12 -1.32 0.00 0.00 -3.89 0.00 0.00 57.50 52.41 1xn6 n TRP 36 Cb 0.17 1.37 0.00 0.00 -1.36 0.00 0.00 31.31 31.49 1xn6 n TRP 36 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1xn6 n PHE 37 N 0.90 -0.72 0.00 -2.67 -0.00 -0.41 -4.82 117.46 109.74 1xn6 n PHE 37 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1xn6 n PHE 37 Cb 0.71 0.16 0.00 0.00 -0.00 0.00 0.00 39.48 40.35 1xn6 n PHE 37 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1xn6 n MET 38 N -1.91 0.00 -2.42 -4.13 2.81 -1.25 -5.01 117.12 105.21 1xn6 n MET 38 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 1xn6 n MET 38 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1xn6 n MET 38 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1xn6 s PRO 39 N -2.00 4.25 0.13 0.03 0.04 -1.26 -3.90 135.00 132.29 1xn6 s PRO 39 Ca 0.00 1.68 -0.25 0.00 0.04 0.00 0.00 61.00 62.47 1xn6 s PRO 39 Cb 0.00 -3.73 0.08 0.00 0.04 0.00 0.00 34.50 30.89 1xn6 s PRO 39 CO 0.00 -0.67 1.08 0.54 0.04 0.00 0.00 177.00 177.99 1xn6 s ASN 40 N 1.93 -0.05 -0.77 6.66 4.22 -1.26 -1.93 114.94 123.73 1xn6 s ASN 40 Ca 0.55 -0.49 0.03 0.00 -2.14 0.00 0.00 52.86 50.81 1xn6 s ASN 40 Cb -0.23 0.42 0.23 0.00 1.28 0.00 0.00 41.25 42.95 1xn6 s ASN 40 CO 0.16 -0.81 0.76 0.47 -2.04 0.00 0.00 177.10 175.65 1xn6 n ASP 41 N -0.91 3.95 -4.22 3.54 8.00 -1.26 -4.74 116.55 120.90 1xn6 n ASP 41 Ca -0.04 -3.30 -0.37 0.00 0.71 0.00 0.00 54.79 51.79 1xn6 n ASP 41 Cb 0.60 -0.85 0.04 0.00 -0.02 0.00 0.00 41.12 40.89 1xn6 n ASP 41 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1xn6 n PHE 42 N 1.58 -3.15 -3.79 1.24 7.35 -1.26 -4.82 117.46 114.59 1xn6 n PHE 42 Ca 0.25 0.25 -0.14 0.00 -0.76 0.00 0.00 57.45 57.04 1xn6 n PHE 42 Cb 0.37 -1.66 -0.15 0.00 0.35 0.00 0.00 39.48 38.40 1xn6 n PHE 42 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1xn6 s VAL 43 N -2.00 -0.04 -0.99 -2.13 0.11 -1.26 -4.73 120.40 109.36 1xn6 s VAL 43 Ca 0.53 0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 59.70 1xn6 s VAL 43 Cb -0.34 -0.11 0.30 0.00 -1.53 0.00 0.00 36.38 34.71 1xn6 s VAL 43 CO 0.70 0.06 1.36 -0.11 -3.33 0.00 0.00 175.10 173.78 1xn6 n LEU 44 N 3.83 5.97 -3.73 2.54 7.94 -1.26 -4.95 117.00 127.33 1xn6 n LEU 44 Ca -0.23 -5.28 -0.12 0.00 -1.11 0.00 0.00 56.01 49.27 1xn6 n LEU 44 Cb 0.53 -1.14 -0.13 0.00 0.53 0.00 0.00 43.42 43.21 1xn6 n LEU 44 CO 0.22 1.79 -0.12 -1.61 -1.11 0.00 0.00 177.39 176.56 1xn6 s GLU 45 N -2.84 0.21 0.31 1.96 2.02 -1.26 -5.10 118.70 114.00 1xn6 s GLU 45 Ca 0.33 0.52 -0.29 0.00 0.02 0.00 0.00 54.97 55.55 1xn6 s GLU 45 Cb 0.08 -0.11 -0.11 0.00 0.10 0.00 0.00 34.13 34.08 1xn6 s GLU 45 CO 0.07 -0.16 1.54 0.08 0.02 0.00 0.00 175.26 176.82 1xn6 s VAL 46 N 1.22 2.14 -1.81 2.63 1.01 -1.26 -1.04 120.40 123.28 1xn6 s VAL 46 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1xn6 s VAL 46 Cb -0.10 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1xn6 s VAL 46 CO -0.08 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1xn6 n GLY 47 N 1.64 1.63 3.26 4.51 0.00 -1.17 -4.92 105.19 110.14 1xn6 n GLY 47 Ca 0.06 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1xn6 n GLY 47 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xn6 s HIS 48 N -2.47 3.44 0.32 1.61 5.04 -0.21 -4.91 115.29 118.11 1xn6 s HIS 48 Ca 0.00 -1.78 -0.13 0.00 -1.54 0.00 0.00 55.06 51.61 1xn6 s HIS 48 Cb 0.00 -3.64 -0.08 0.00 0.04 0.00 0.00 32.58 28.90 1xn6 s HIS 48 CO 0.00 -0.99 0.70 -1.83 -2.34 0.00 0.00 174.74 170.28 1xn6 s GLU 49 N 1.07 3.91 0.08 2.88 -1.05 -1.26 -3.94 118.70 120.39 1xn6 s GLU 49 Ca 0.08 0.53 0.01 0.00 -0.15 0.00 0.00 54.97 55.44 1xn6 s GLU 49 Cb -0.24 -2.47 -0.00 0.00 -0.44 0.00 0.00 34.13 30.98 1xn6 s GLU 49 CO -0.01 0.15 0.03 1.97 0.95 0.00 0.00 175.26 178.35 1xn6 n PHE 50 N -0.51 0.05 -4.63 4.83 -1.74 -0.95 -4.99 117.46 109.52 1xn6 n PHE 50 Ca 0.03 -0.51 -0.23 0.00 -0.56 0.00 0.00 57.45 56.17 1xn6 n PHE 50 Cb 0.53 -0.01 -0.16 0.00 1.52 0.00 0.00 39.48 41.37 1xn6 n PHE 50 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 1xn6 s HIS 51 N -1.78 1.34 0.36 2.97 3.76 -1.26 -3.18 115.29 117.49 1xn6 s HIS 51 Ca 0.04 -0.35 0.08 0.00 -0.15 0.00 0.00 55.06 54.68 1xn6 s HIS 51 Cb 0.00 -0.92 -0.07 0.00 1.11 0.00 0.00 32.58 32.71 1xn6 s HIS 51 CO 0.03 -0.12 -0.05 0.14 -0.85 0.00 0.00 174.74 173.88 1xn6 s VAL 52 N 0.05 2.06 -0.29 -0.90 -7.23 -1.26 -4.08 120.40 108.76 1xn6 s VAL 52 Ca -0.02 -2.13 -0.10 0.00 -1.81 0.00 0.00 61.98 57.93 1xn6 s VAL 52 Cb -0.09 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 1xn6 s VAL 52 CO 0.01 -0.14 0.15 -1.10 -0.31 0.00 0.00 175.10 173.71 1xn6 s GLN 53 N -3.66 3.54 0.22 4.82 -1.52 -0.81 -3.87 119.66 118.38 1xn6 s GLN 53 Ca 0.33 -0.58 0.10 0.00 -1.95 0.00 0.00 55.36 53.26 1xn6 s GLN 53 Cb 0.05 -3.54 -0.04 0.00 -0.22 0.00 0.00 33.01 29.25 1xn6 s GLN 53 CO 0.16 -0.32 -0.13 0.45 -0.25 0.00 0.00 175.29 175.20 1xn6 s SER 54 N 1.65 3.99 0.00 5.90 0.15 -1.25 -4.52 113.70 119.61 1xn6 s SER 54 Ca 0.06 -0.74 0.22 0.00 0.70 0.00 0.00 55.95 56.18 1xn6 s SER 54 Cb -0.16 -0.55 0.98 0.00 -1.71 0.00 0.00 66.02 64.58 1xn6 s SER 54 CO 0.07 0.08 1.71 -0.81 1.20 0.00 0.00 173.24 175.49 1xn6 n PRO 55 N -0.19 0.08 -3.21 5.44 -0.04 -1.26 -3.87 135.00 131.95 1xn6 n PRO 55 Ca -0.09 0.11 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 1xn6 n PRO 55 Cb 0.57 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1xn6 n PRO 55 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xn6 n PHE 56 N -1.45 -0.05 0.00 0.54 -0.00 -1.26 -5.10 117.46 110.14 1xn6 n PHE 56 Ca 0.07 -3.61 0.00 0.00 -0.00 0.00 0.00 57.45 53.91 1xn6 n PHE 56 Cb 0.24 -0.36 0.00 0.00 -0.00 0.00 0.00 39.48 39.35 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xn6 n GLY 57 N 1.37 -2.55 3.73 7.13 0.00 -1.25 -4.91 105.19 108.72 1xn6 n GLY 57 Ca 0.22 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1xn6 n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xn6 s PRO 58 N -3.20 4.55 -0.38 1.61 0.04 -1.26 -3.80 135.00 132.57 1xn6 s PRO 58 Ca 0.00 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.81 1xn6 s PRO 58 Cb 0.00 -3.29 0.11 0.00 0.04 0.00 0.00 34.50 31.36 1xn6 s PRO 58 CO 0.00 -0.01 0.13 0.45 0.04 0.00 0.00 177.00 177.61 1xn6 s SER 59 N 0.15 4.32 0.73 6.66 0.15 -1.25 -4.89 113.70 119.57 1xn6 s SER 59 Ca 0.51 -2.24 -0.11 0.00 0.70 0.00 0.00 55.95 54.82 1xn6 s SER 59 Cb -0.30 -1.33 0.03 0.00 -1.71 0.00 0.00 66.02 62.71 1xn6 s SER 59 CO 0.34 -0.35 1.07 -2.16 1.20 0.00 0.00 173.24 173.35 1xn6 s PRO 60 N 0.81 2.66 -0.03 5.44 0.04 -1.26 -4.00 135.00 138.65 1xn6 s PRO 60 Ca 0.13 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1xn6 s PRO 60 Cb -0.21 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1xn6 s PRO 60 CO -0.10 -1.27 -0.00 0.00 0.04 0.00 0.00 177.00 175.67 1xn6 s LYS 62 N 0.95 3.40 0.19 0.00 2.20 -1.20 -2.24 119.74 123.03 1xn6 s LYS 62 Ca -0.10 -0.66 -0.32 0.00 -0.36 0.00 0.00 55.97 54.54 1xn6 s LYS 62 Cb -0.13 -3.40 -0.12 0.00 -1.51 0.00 0.00 37.83 32.67 1xn6 s LYS 62 CO -0.02 -0.33 1.73 0.28 -0.36 0.00 0.00 175.35 176.66 1xn6 n VAL 63 N 4.92 0.06 -0.09 4.02 0.31 -1.25 -2.16 118.33 124.14 1xn6 n VAL 63 Ca -0.15 -0.01 -0.14 0.00 -0.01 0.00 0.00 64.34 64.03 1xn6 n VAL 63 Cb 0.50 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 1xn6 n VAL 63 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xn6 n LEU 64 N 4.22 1.85 -4.05 7.52 4.77 -0.16 -3.06 117.00 128.09 1xn6 n LEU 64 Ca 0.16 0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 56.52 1xn6 n LEU 64 Cb 0.35 -0.89 -0.11 0.00 -2.33 0.00 0.00 43.42 40.43 1xn6 n LEU 64 CO 0.64 -0.08 -0.39 -0.70 -1.33 0.00 0.00 177.39 175.53 1xn6 s GLU 65 N -2.37 0.50 -0.15 3.23 2.56 -0.97 -4.72 118.70 116.78 1xn6 s GLU 65 Ca -0.24 -0.75 -0.02 0.00 0.00 0.00 0.00 54.97 53.97 1xn6 s GLU 65 Cb 0.05 -0.22 0.04 0.00 2.00 0.00 0.00 34.13 36.00 1xn6 s GLU 65 CO 0.40 0.03 -0.00 0.42 -0.56 0.00 0.00 175.26 175.55 1xn6 s ILE 66 N -1.46 0.67 -0.44 -3.70 1.01 -1.26 -1.31 121.20 114.70 1xn6 s ILE 66 Ca -0.10 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.24 1xn6 s ILE 66 Cb -0.10 -0.95 0.18 0.00 0.01 0.00 0.00 42.46 41.60 1xn6 s ILE 66 CO -0.00 0.05 0.48 0.47 0.00 0.00 0.00 174.94 175.95 1xn6 n ASP 67 N 5.02 -1.42 -0.25 3.58 8.00 -0.07 -5.00 116.55 126.42 1xn6 n ASP 67 Ca -0.09 -2.58 -0.00 0.00 0.71 0.00 0.00 54.79 52.82 1xn6 n ASP 67 Cb 0.48 0.21 0.07 0.00 -0.02 0.00 0.00 41.12 41.86 1xn6 n ASP 67 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1xn6 h GLU 68 N 5.29 -0.04 -2.70 -1.24 4.81 -1.98 1.36 114.58 120.09 1xn6 h GLU 68 Ca 0.18 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.11 1xn6 h GLU 68 Cb 0.97 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1xn6 h GLU 68 CO 0.27 -0.02 1.33 -0.35 -0.73 0.00 0.00 179.01 179.50 1xn6 n PRO 69 N -5.48 2.08 0.00 0.92 -0.04 -1.26 -3.96 135.00 127.27 1xn6 n PRO 69 Ca 0.09 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1xn6 n PRO 69 Cb 0.37 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1xn6 n PRO 69 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xn6 n ASN 70 N 3.21 0.00 0.00 3.54 4.05 -0.48 -5.14 115.26 120.44 1xn6 n ASN 70 Ca 0.44 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.47 1xn6 n ASN 70 Cb 0.46 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.47 1xn6 n ASN 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xn6 n HIS 71 N 0.00 0.00 -3.97 1.20 1.44 0.46 -2.36 115.22 111.98 1xn6 n HIS 71 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 1xn6 n HIS 71 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 1xn6 n HIS 71 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1xn6 s LEU 72 N 0.00 1.95 0.07 2.39 2.34 -1.25 -0.89 118.68 123.29 1xn6 s LEU 72 Ca 0.00 -0.78 0.04 0.00 0.06 0.00 0.00 54.13 53.46 1xn6 s LEU 72 Cb 0.00 0.59 -0.03 0.00 -0.56 0.00 0.00 46.19 46.19 1xn6 s LEU 72 CO 0.00 -0.63 -0.13 -0.94 -1.06 0.00 0.00 176.35 173.59 1xn6 s SER 73 N -2.74 1.52 -0.07 1.48 1.04 -0.43 -3.25 113.70 111.26 1xn6 s SER 73 Ca 0.04 -0.64 -0.24 0.00 0.48 0.00 0.00 55.95 55.59 1xn6 s SER 73 Cb 0.05 -0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.19 1xn6 s SER 73 CO -0.09 -0.12 0.54 0.72 0.98 0.00 0.00 173.24 175.26 1xn6 s PHE 74 N -1.48 -0.50 0.31 5.02 -0.71 -1.06 -0.99 117.98 118.57 1xn6 s PHE 74 Ca -0.02 0.92 0.02 0.00 -1.04 0.00 0.00 56.93 56.81 1xn6 s PHE 74 Cb -0.09 0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.96 1xn6 s PHE 74 CO 0.02 -0.48 0.48 -1.54 -1.34 0.00 0.00 175.22 172.36 1xn6 s SER 75 N -0.95 6.31 -0.24 1.98 1.04 -0.92 -2.13 113.70 118.79 1xn6 s SER 75 Ca -0.10 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.65 1xn6 s SER 75 Cb -0.02 -1.97 0.03 0.00 0.10 0.00 0.00 66.02 64.15 1xn6 s SER 75 CO 0.06 -0.21 -0.08 0.86 0.98 0.00 0.00 173.24 174.84 1xn6 s TRP 76 N -2.20 3.06 1.00 5.02 -0.11 0.43 -3.24 118.94 122.90 1xn6 s TRP 76 Ca 0.38 -1.68 -0.17 0.00 1.22 0.00 0.00 56.10 55.86 1xn6 s TRP 76 Cb -0.09 -2.02 0.24 0.00 -1.50 0.00 0.00 33.47 30.09 1xn6 s TRP 76 CO 0.34 -0.76 1.01 -0.25 -4.62 0.00 0.00 176.95 172.66 1xn6 n ASP 77 N 4.63 -1.32 -2.24 5.86 9.92 -0.53 0.12 116.55 132.99 1xn6 n ASP 77 Ca -0.17 -1.18 -0.03 0.00 -0.53 0.00 0.00 54.79 52.88 1xn6 n ASP 77 Cb 0.47 -0.87 -0.00 0.00 -0.64 0.00 0.00 41.12 40.07 1xn6 n ASP 77 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xn6 n THR 78 N -4.25 -0.12 0.08 -3.53 -2.24 -1.26 -3.94 114.28 99.02 1xn6 n THR 78 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1xn6 n THR 78 Cb 0.51 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1xn6 n THR 78 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xn6 n ASP 79 N -1.18 -1.47 0.00 3.42 8.00 -1.24 -4.87 116.55 119.21 1xn6 n ASP 79 Ca -0.04 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1xn6 n ASP 79 Cb 0.45 1.61 0.00 0.00 -0.02 0.00 0.00 41.12 43.17 1xn6 n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xn6 n GLY 80 N -1.36 0.74 3.87 0.44 0.00 0.32 -4.80 105.19 104.40 1xn6 n GLY 80 Ca 0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1xn6 n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn6 s TRP 81 N -2.00 3.44 -0.06 1.61 0.51 -1.03 -4.80 118.94 116.60 1xn6 s TRP 81 Ca 0.00 0.96 0.06 0.00 -2.12 0.00 0.00 56.10 55.00 1xn6 s TRP 81 Cb 0.00 -2.33 -0.01 0.00 -0.81 0.00 0.00 33.47 30.33 1xn6 s TRP 81 CO 0.00 0.26 -0.24 0.08 -0.51 0.00 0.00 176.95 176.54 1xn6 s VAL 82 N -1.80 1.98 -0.02 4.03 1.01 -0.93 0.16 120.40 124.84 1xn6 s VAL 82 Ca 0.47 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1xn6 s VAL 82 Cb -0.12 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1xn6 s VAL 82 CO 0.20 0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 175.13 1xn6 s VAL 83 N -0.10 0.37 -0.08 2.92 1.01 -0.90 -1.82 120.40 121.80 1xn6 s VAL 83 Ca -0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1xn6 s VAL 83 Cb -0.14 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 35.92 1xn6 s VAL 83 CO 0.04 0.14 0.19 -0.55 0.00 0.00 0.00 175.10 174.92 1xn6 s SER 84 N 0.31 -0.18 -0.37 3.32 0.15 -0.29 -2.57 113.70 114.06 1xn6 s SER 84 Ca -0.03 0.39 -0.13 0.00 0.70 0.00 0.00 55.95 56.88 1xn6 s SER 84 Cb -0.07 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1xn6 s SER 84 CO -0.00 -0.13 0.25 -0.36 1.20 0.00 0.00 173.24 174.20 1xn6 s PHE 85 N 0.93 3.23 0.52 3.44 0.08 -1.20 -1.44 117.98 123.54 1xn6 s PHE 85 Ca -0.07 -0.48 -0.11 0.00 0.12 0.00 0.00 56.93 56.39 1xn6 s PHE 85 Cb -0.09 -2.51 -0.06 0.00 -0.57 0.00 0.00 43.02 39.80 1xn6 s PHE 85 CO -0.05 -0.49 0.92 0.34 -0.10 0.00 0.00 175.22 175.83 1xn6 s ASP 86 N 1.68 6.41 -0.04 1.36 2.15 0.22 -3.81 116.67 124.64 1xn6 s ASP 86 Ca 0.05 1.31 -0.02 0.00 0.43 0.00 0.00 52.55 54.32 1xn6 s ASP 86 Cb -0.18 -2.41 0.02 0.00 -0.30 0.00 0.00 42.92 40.05 1xn6 s ASP 86 CO 0.10 -0.63 0.08 -0.76 -0.17 0.00 0.00 175.17 173.78 1xn6 s LEU 87 N -4.49 1.20 -0.08 -1.34 1.02 -1.00 -2.95 118.68 111.04 1xn6 s LEU 87 Ca 0.54 0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.85 1xn6 s LEU 87 Cb -0.10 0.17 0.02 0.00 0.02 0.00 0.00 46.19 46.30 1xn6 s LEU 87 CO 0.41 -0.10 -0.07 -0.75 0.02 0.00 0.00 176.35 175.86 1xn6 s LYS 88 N 0.74 1.27 -0.45 1.70 2.20 -0.78 -4.79 119.74 119.63 1xn6 s LYS 88 Ca -0.06 -0.21 -0.26 0.00 -0.36 0.00 0.00 55.97 55.08 1xn6 s LYS 88 Cb -0.08 -1.26 0.03 0.00 -1.51 0.00 0.00 37.83 35.01 1xn6 s LYS 88 CO -0.03 -0.14 0.95 0.34 -0.36 0.00 0.00 175.35 176.11 1xn6 s ASP 89 N 1.25 6.54 -0.25 1.43 2.15 -1.26 -0.64 116.67 125.89 1xn6 s ASP 89 Ca -0.05 0.23 -0.10 0.00 0.43 0.00 0.00 52.55 53.06 1xn6 s ASP 89 Cb -0.14 -2.46 -0.16 0.00 -0.30 0.00 0.00 42.92 39.86 1xn6 s ASP 89 CO -0.02 -1.04 -0.16 0.18 -0.17 0.00 0.00 175.17 173.96 1xn6 n LEU 90 N 7.17 2.29 0.00 -1.34 4.77 -1.21 -4.99 117.00 123.70 1xn6 n LEU 90 Ca 0.07 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1xn6 n LEU 90 Cb 0.48 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1xn6 n LEU 90 CO 0.64 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 1xn6 n GLY 91 N 1.63 0.33 2.21 -0.72 0.00 -1.12 -4.98 105.19 102.55 1xn6 n GLY 91 Ca -0.47 -2.26 -0.15 0.00 0.00 0.00 0.00 46.02 43.15 1xn6 n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn6 n ASP 92 N 0.32 -4.04 -0.92 1.61 8.00 -1.26 0.16 116.55 120.42 1xn6 n ASP 92 Ca 0.00 0.30 -0.09 0.00 0.71 0.00 0.00 54.79 55.71 1xn6 n ASP 92 Cb 0.00 -3.62 -0.01 0.00 -0.02 0.00 0.00 41.12 37.47 1xn6 n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xn6 n ASN 93 N -1.02 -3.32 -4.50 -2.24 5.15 -1.26 -4.92 115.26 103.14 1xn6 n ASN 93 Ca -0.15 0.05 -0.24 0.00 -0.60 0.00 0.00 54.58 53.63 1xn6 n ASN 93 Cb 0.53 -2.35 -0.10 0.00 -0.53 0.00 0.00 39.78 37.33 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xn6 s LYS 94 N -4.00 1.80 -0.11 1.20 1.02 0.42 0.42 119.74 120.48 1xn6 s LYS 94 Ca 0.00 -1.66 -0.12 0.00 0.02 0.00 0.00 55.97 54.21 1xn6 s LYS 94 Cb 0.00 -1.87 0.03 0.00 -0.52 0.00 0.00 37.83 35.47 1xn6 s LYS 94 CO 0.00 0.35 0.34 0.99 -0.92 0.00 0.00 175.35 176.11 1xn6 s THR 95 N -2.36 0.01 -0.49 2.17 2.01 -0.67 -2.80 115.64 113.51 1xn6 s THR 95 Ca 0.29 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.01 1xn6 s THR 95 Cb -0.06 -0.51 0.04 0.00 0.01 0.00 0.00 72.50 71.99 1xn6 s THR 95 CO 0.15 -0.04 0.70 -0.70 -0.69 0.00 0.00 174.62 174.05 1xn6 s GLU 96 N -0.05 3.23 -0.20 4.92 2.12 0.19 -2.00 118.70 126.91 1xn6 s GLU 96 Ca -0.02 -0.55 -0.17 0.00 0.36 0.00 0.00 54.97 54.58 1xn6 s GLU 96 Cb -0.03 -4.03 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 1xn6 s GLU 96 CO 0.01 -1.20 0.47 0.12 -0.54 0.00 0.00 175.26 174.12 1xn6 s PHE 97 N 2.99 3.37 -0.25 5.30 5.36 0.20 -1.87 117.98 133.09 1xn6 s PHE 97 Ca 0.21 0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 56.89 1xn6 s PHE 97 Cb -0.16 -2.61 0.07 0.00 -0.34 0.00 0.00 43.02 39.98 1xn6 s PHE 97 CO 0.16 -0.06 0.03 0.99 -1.46 0.00 0.00 175.22 174.88 1xn6 s THR 98 N 1.49 1.02 -0.09 0.12 2.01 -1.15 0.81 115.64 119.85 1xn6 s THR 98 Ca 0.22 -1.09 -0.19 0.00 0.31 0.00 0.00 61.69 60.94 1xn6 s THR 98 Cb -0.15 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1xn6 s THR 98 CO 0.09 -0.32 0.53 -0.22 -0.69 0.00 0.00 174.62 174.00 1xn6 s LEU 99 N 1.60 4.31 -0.10 4.42 2.96 -0.53 -0.61 118.68 130.73 1xn6 s LEU 99 Ca 0.01 0.93 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 1xn6 s LEU 99 Cb -0.18 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.74 1xn6 s LEU 99 CO -0.12 0.01 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.15 1xn6 s ILE 100 N 0.47 1.37 -0.23 6.68 1.09 -0.52 0.26 121.20 130.32 1xn6 s ILE 100 Ca 0.29 -0.57 -0.02 0.00 -1.10 0.00 0.00 60.65 59.24 1xn6 s ILE 100 Cb -0.16 -1.26 0.07 0.00 -1.06 0.00 0.00 42.46 40.05 1xn6 s ILE 100 CO 0.13 0.41 0.04 -2.28 -0.10 0.00 0.00 174.94 173.14 1xn6 s HIS 101 N 0.97 1.34 0.00 3.97 5.65 -0.91 -1.14 115.29 125.17 1xn6 s HIS 101 Ca -0.08 -1.19 0.00 0.00 0.25 0.00 0.00 55.06 54.05 1xn6 s HIS 101 Cb -0.15 -1.26 0.00 0.00 -1.18 0.00 0.00 32.58 29.99 1xn6 s HIS 101 CO -0.01 -0.70 0.00 0.41 -0.65 0.00 0.00 174.74 173.79 1xn6 n GLY 102 N 4.96 5.38 0.00 1.59 0.00 -0.76 -2.28 105.19 114.08 1xn6 n GLY 102 Ca -0.08 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1xn6 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xn6 n GLY 103 N 5.00 2.00 3.86 -0.02 0.00 -1.26 -2.18 105.19 112.59 1xn6 n GLY 103 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1xn6 n GLY 103 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn6 s TRP 104 N -0.15 3.46 0.00 1.61 0.52 -1.26 -5.02 118.94 118.10 1xn6 s TRP 104 Ca 0.00 1.27 0.00 0.00 0.02 0.00 0.00 56.10 57.39 1xn6 s TRP 104 Cb 0.00 -2.63 0.00 0.00 -1.15 0.00 0.00 33.47 29.69 1xn6 s TRP 104 CO 0.00 -0.25 0.00 1.63 0.02 0.00 0.00 176.95 178.35 1xn6 n LYS 105 N -1.46 0.00 -3.90 4.98 4.76 -1.26 -4.84 118.16 116.43 1xn6 n LYS 105 Ca 0.05 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.15 1xn6 n LYS 105 Cb 0.54 -0.03 -0.05 0.00 -1.84 0.00 0.00 35.03 33.65 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1xn6 s HIS 106 N -0.66 3.55 0.18 2.13 3.76 -1.26 -1.25 115.29 121.74 1xn6 s HIS 106 Ca 0.00 0.36 0.11 0.00 -0.15 0.00 0.00 55.06 55.38 1xn6 s HIS 106 Cb 0.00 -1.83 0.23 0.00 1.11 0.00 0.00 32.58 32.09 1xn6 s HIS 106 CO 0.00 0.65 1.53 -1.00 -0.85 0.00 0.00 174.74 175.07 1xn6 h PRO 107 N 3.85 0.00 0.18 8.40 0.13 -1.98 -3.28 132.00 139.31 1xn6 h PRO 107 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1xn6 h PRO 107 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1xn6 h PRO 107 CO 0.69 0.68 -0.09 0.22 -0.23 0.00 0.00 178.00 179.27 1xn6 h ASP 108 N 0.00 -0.21 -3.12 1.44 1.82 -1.99 -3.39 116.42 110.98 1xn6 h ASP 108 Ca -0.01 -0.32 -0.55 0.00 -0.39 0.00 0.00 57.03 55.76 1xn6 h ASP 108 Cb 1.27 0.05 0.20 0.00 0.68 0.00 0.00 39.33 41.54 1xn6 h ASP 108 CO 0.09 0.31 -0.60 -1.84 -1.61 0.00 0.00 179.24 175.59 1xn6 n GLU 109 N -4.96 0.09 -4.56 0.28 0.28 -1.24 -4.90 120.64 105.64 1xn6 n GLU 109 Ca -0.08 0.07 -0.22 0.00 -0.16 0.00 0.00 57.16 56.77 1xn6 n GLU 109 Cb 0.26 -1.73 -0.14 0.00 1.43 0.00 0.00 31.44 31.26 1xn6 n GLU 109 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xn6 s ILE 110 N -2.06 1.20 0.60 3.84 -1.09 -1.26 -4.38 121.20 118.04 1xn6 s ILE 110 Ca 0.60 -0.82 -0.18 0.00 -2.23 0.00 0.00 60.65 58.02 1xn6 s ILE 110 Cb -0.30 -1.04 -0.03 0.00 -1.58 0.00 0.00 42.46 39.51 1xn6 s ILE 110 CO 0.63 0.20 1.19 -0.76 -1.23 0.00 0.00 174.94 174.98 1xn6 s LEU 111 N -0.72 3.64 -0.06 2.97 1.02 -1.26 -4.93 118.68 119.33 1xn6 s LEU 111 Ca 0.04 2.34 -0.12 0.00 0.02 0.00 0.00 54.13 56.42 1xn6 s LEU 111 Cb -0.07 -4.59 -0.08 0.00 0.02 0.00 0.00 46.19 41.47 1xn6 s LEU 111 CO 0.00 -1.60 0.48 1.55 0.02 0.00 0.00 176.35 176.81 1xn6 h PRO 112 N 0.79 -0.28 0.00 1.29 0.13 -1.98 -2.62 132.00 129.33 1xn6 h PRO 112 Ca -0.50 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xn6 h PRO 112 Cb 1.29 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1xn6 h PRO 112 CO 0.55 -0.08 0.00 1.63 -0.23 0.00 0.00 178.00 179.87 1xn6 n LYS 113 N -4.96 0.00 0.00 0.86 5.02 -1.26 -3.99 118.16 113.83 1xn6 n LYS 113 Ca -0.05 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1xn6 n LYS 113 Cb 0.17 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn6 n ALA 114 N -1.10 -0.02 -1.56 7.82 0.00 -1.26 -4.93 120.51 119.45 1xn6 n ALA 114 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xn6 n ALA 114 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1xn6 n ALA 114 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xn6 n ASN 115 N -2.55 -2.27 -3.60 0.00 5.15 -0.99 -5.03 115.26 105.97 1xn6 n ASN 115 Ca 0.00 0.01 -0.06 0.00 -0.60 0.00 0.00 54.58 53.93 1xn6 n ASN 115 Cb 0.00 -1.20 -0.04 0.00 -0.53 0.00 0.00 39.78 38.01 1xn6 n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xn6 s ALA 116 N -1.85 -2.02 -0.24 5.20 0.00 -1.26 -4.99 121.76 116.60 1xn6 s ALA 116 Ca 0.01 1.68 -0.37 0.00 0.00 0.00 0.00 51.96 53.28 1xn6 s ALA 116 Cb -0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 23.12 22.12 1xn6 s ALA 116 CO 0.03 -0.35 1.90 1.63 0.00 0.00 0.00 175.76 178.97 1xn6 n LYS 117 N 0.46 1.47 -0.27 0.00 5.02 -1.26 -4.30 118.16 119.29 1xn6 n LYS 117 Ca -0.04 0.52 0.01 0.00 -2.02 0.00 0.00 58.31 56.77 1xn6 n LYS 117 Cb 0.58 -2.37 0.14 0.00 -0.02 0.00 0.00 35.03 33.36 1xn6 n LYS 117 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xn6 h SER 118 N 9.12 0.61 -0.57 4.39 4.64 -1.76 0.14 113.55 130.11 1xn6 h SER 118 Ca -0.43 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 60.99 1xn6 h SER 118 Cb 1.30 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 1xn6 h SER 118 CO 0.97 0.36 0.30 0.77 -0.87 0.00 0.00 176.83 178.37 1xn6 h SER 119 N 0.73 0.43 -0.26 4.97 4.64 -1.88 1.20 113.55 123.39 1xn6 h SER 119 Ca 0.36 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 1xn6 h SER 119 Cb 0.29 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1xn6 h SER 119 CO -0.23 0.29 0.09 0.40 -0.87 0.00 0.00 176.83 176.52 1xn6 h ILE 120 N 0.57 1.19 -0.27 0.95 2.04 -1.58 -1.57 117.51 118.84 1xn6 h ILE 120 Ca 0.25 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1xn6 h ILE 120 Cb 0.16 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1xn6 h ILE 120 CO -0.17 0.19 0.14 0.40 0.00 0.00 0.00 178.15 178.71 1xn6 h ILE 121 N 0.27 1.13 -0.69 -0.67 1.08 -0.03 0.60 117.51 119.19 1xn6 h ILE 121 Ca 0.09 -0.36 0.14 0.00 -0.39 0.00 0.00 64.86 64.33 1xn6 h ILE 121 Cb 0.21 0.88 -0.10 0.00 -3.07 0.00 0.00 36.82 34.75 1xn6 h ILE 121 CO -0.00 0.13 0.19 -0.09 -0.69 0.00 0.00 178.15 177.69 1xn6 h ARG 122 N 0.31 0.30 -0.05 2.37 2.43 0.17 1.47 114.38 121.39 1xn6 h ARG 122 Ca 0.09 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1xn6 h ARG 122 Cb 0.08 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1xn6 h ARG 122 CO -0.01 0.20 -0.14 0.22 -1.51 0.00 0.00 179.97 178.73 1xn6 h ASP 123 N 0.31 0.20 -0.10 -3.80 1.82 -0.87 0.24 116.42 114.24 1xn6 h ASP 123 Ca 0.38 -0.61 0.04 0.00 -0.39 0.00 0.00 57.03 56.45 1xn6 h ASP 123 Cb 0.60 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 40.51 1xn6 h ASP 123 CO -0.44 0.77 -0.17 0.03 -1.61 0.00 0.00 179.24 177.82 1xn6 h ARG 124 N -0.36 -0.22 0.00 0.28 3.08 0.13 1.41 114.38 118.71 1xn6 h ARG 124 Ca -0.00 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1xn6 h ARG 124 Cb 0.75 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1xn6 h ARG 124 CO 0.03 -0.14 -0.49 0.52 -1.07 0.00 0.00 179.97 178.82 1xn6 h MET 125 N -0.22 0.00 0.12 0.04 2.86 0.19 -2.53 114.93 115.39 1xn6 h MET 125 Ca 0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1xn6 h MET 125 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1xn6 h MET 125 CO -0.23 0.49 -0.06 1.03 1.06 0.00 0.00 176.91 179.20 1xn6 h SER 126 N 0.00 -0.14 -0.49 1.22 0.87 0.59 0.13 113.55 115.73 1xn6 h SER 126 Ca -0.00 -0.41 0.09 0.00 -1.23 0.00 0.00 61.79 60.24 1xn6 h SER 126 Cb 0.87 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.78 1xn6 h SER 126 CO 0.06 0.40 0.00 1.23 -0.53 0.00 0.00 176.83 178.00 1xn6 h GLY 127 N -0.74 0.50 0.88 5.77 0.00 0.19 1.11 103.07 110.78 1xn6 h GLY 127 Ca -0.02 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1xn6 h GLY 127 CO 0.03 -0.13 -0.01 -1.33 0.00 0.00 0.00 176.54 175.09 1xn6 h GLY 128 N 0.12 0.58 1.00 4.60 0.00 -1.51 -0.95 103.07 106.91 1xn6 h GLY 128 Ca 0.25 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1xn6 h GLY 128 CO -0.41 0.40 0.37 1.49 0.00 0.00 0.00 176.54 178.39 1xn6 h TRP 129 N 0.32 0.70 0.20 5.60 -0.00 -0.09 1.50 115.95 124.17 1xn6 h TRP 129 Ca 0.08 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.00 1xn6 h TRP 129 Cb 0.45 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 29.35 1xn6 h TRP 129 CO 0.04 0.44 -0.27 0.28 -0.00 0.00 0.00 178.44 178.93 1xn6 h VAL 130 N 0.75 0.42 0.23 1.49 2.07 0.14 1.46 116.25 122.82 1xn6 h VAL 130 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1xn6 h VAL 130 Cb -0.08 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1xn6 h VAL 130 CO -0.05 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.43 1xn6 h ALA 131 N 0.15 -0.31 -0.81 1.67 0.00 -0.75 0.44 119.26 119.65 1xn6 h ALA 131 Ca 0.01 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1xn6 h ALA 131 Cb 0.51 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1xn6 h ALA 131 CO -0.10 -0.62 0.54 0.82 0.00 0.00 0.00 179.25 179.88 1xn6 h ILE 132 N -0.43 0.80 -0.15 0.00 2.04 0.23 0.98 117.51 120.99 1xn6 h ILE 132 Ca -0.03 -0.18 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 1xn6 h ILE 132 Cb 0.33 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1xn6 h ILE 132 CO 0.05 0.09 -0.45 0.58 0.00 0.00 0.00 178.15 178.43 1xn6 h VAL 133 N 0.51 1.32 -1.11 1.67 2.07 0.27 -2.43 116.25 118.55 1xn6 h VAL 133 Ca 0.40 -1.64 -0.60 0.00 0.82 0.00 0.00 66.70 65.69 1xn6 h VAL 133 Cb 0.82 1.70 -0.40 0.00 -1.52 0.00 0.00 31.29 31.90 1xn6 h VAL 133 CO -0.15 0.50 -0.41 0.59 0.02 0.00 0.00 177.57 178.11 1xn6 n ASN 134 N -4.00 5.45 0.10 0.57 3.02 0.17 -3.40 115.26 117.17 1xn6 n ASN 134 Ca -0.02 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 1xn6 n ASN 134 Cb 0.52 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1xn6 n ASN 134 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xn6 n GLU 135 N -0.66 0.00 -0.07 3.52 -0.58 0.29 -4.88 120.64 118.27 1xn6 n GLU 135 Ca 0.46 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 57.14 1xn6 n GLU 135 Cb 0.78 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.63 1xn6 n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xn6 n LYS 136 N -3.12 0.41 -0.33 3.49 5.02 -0.95 -3.60 118.16 119.08 1xn6 n LYS 136 Ca 0.00 0.30 0.08 0.00 -2.02 0.00 0.00 58.31 56.68 1xn6 n LYS 136 Cb 0.00 -1.38 0.18 0.00 -0.02 0.00 0.00 35.03 33.81 1xn6 n LYS 136 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xn6 n LEU 137 N -4.15 -0.25 0.21 -0.35 7.94 -0.99 0.19 117.00 119.59 1xn6 n LEU 137 Ca -0.09 1.58 -0.15 0.00 -1.11 0.00 0.00 56.01 56.24 1xn6 n LEU 137 Cb 0.34 -0.51 -0.08 0.00 0.53 0.00 0.00 43.42 43.70 1xn6 n LEU 137 CO 0.14 -1.55 0.73 0.50 -1.11 0.00 0.00 177.39 176.10 1xn6 h LYS 138 N 0.00 -0.50 -0.27 1.96 3.64 -1.77 0.47 116.57 120.10 1xn6 h LYS 138 Ca 0.48 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.95 1xn6 h LYS 138 Cb 0.84 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1xn6 h LYS 138 CO -0.92 -0.33 0.19 -0.22 -2.27 0.00 0.00 179.45 175.89 1xn6 h LYS 139 N -0.52 0.14 0.30 1.90 3.64 0.93 1.34 116.57 124.30 1xn6 h LYS 139 Ca -0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1xn6 h LYS 139 Cb 0.43 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1xn6 h LYS 139 CO 0.04 0.09 -0.14 0.28 -2.27 0.00 0.00 179.45 177.45 1xn6 h VAL 140 N 0.14 0.64 0.42 2.00 2.07 0.33 1.13 116.25 122.98 1xn6 h VAL 140 Ca 0.12 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1xn6 h VAL 140 Cb 0.30 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1xn6 h VAL 140 CO -0.02 0.13 -0.20 0.58 0.02 0.00 0.00 177.57 178.08 1xn6 h VAL 141 N -0.85 0.56 -0.95 2.57 2.07 0.58 -2.99 116.25 117.25 1xn6 h VAL 141 Ca -0.04 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1xn6 h VAL 141 Cb 0.52 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1xn6 h VAL 141 CO 0.07 0.06 0.63 -0.08 0.02 0.00 0.00 177.57 178.26 1xn6 h GLU 142 N -0.77 1.24 0.00 1.57 4.81 0.17 -3.49 114.58 118.10 1xn6 h GLU 142 Ca -0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xn6 h GLU 142 Cb 0.53 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1xn6 h GLU 142 CO 0.09 0.82 0.00 0.41 -0.73 0.00 0.00 179.01 179.60